About 18-cyclohexyl-N-(dimethylsulfamoyl)-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxamide;18-cyclohexyl-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylic acid;[methyl(sulfamoyl)amino]methane
18-cyclohexyl-N-(dimethylsulfamoyl)-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxamide;18-cyclohexyl-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylic acid;[methyl(sulfamoyl)amino]methane (PubChem CID 157091147) has the molecular formula C60H76N10O11S2
and a molecular weight of 1177.46 g/mol. Its IUPAC name is 18-cyclohexyl-N-(dimethylsulfamoyl)-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxamide;18-cyclohexyl-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylic acid;[methyl(sulfamoyl)amino]methane.
Frequently Asked Questions
What is the IUPAC name of 18-cyclohexyl-N-(dimethylsulfamoyl)-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxamide;18-cyclohexyl-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylic acid;[methyl(sulfamoyl)amino]methane?
The IUPAC name of 18-cyclohexyl-N-(dimethylsulfamoyl)-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxamide;18-cyclohexyl-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylic acid;[methyl(sulfamoyl)amino]methane (CID 157091147) is 18-cyclohexyl-N-(dimethylsulfamoyl)-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxamide;18-cyclohexyl-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylic acid;[methyl(sulfamoyl)amino]methane.
What is the SMILES notation for 18-cyclohexyl-N-(dimethylsulfamoyl)-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxamide;18-cyclohexyl-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylic acid;[methyl(sulfamoyl)amino]methane?
The canonical SMILES for 18-cyclohexyl-N-(dimethylsulfamoyl)-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxamide;18-cyclohexyl-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylic acid;[methyl(sulfamoyl)amino]methane is CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)Cc1ccncc1-3.CN(C)S(N)(=O)=O.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)Cc1ccncc1-3.
What is the InChIKey of 18-cyclohexyl-N-(dimethylsulfamoyl)-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxamide;18-cyclohexyl-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylic acid;[methyl(sulfamoyl)amino]methane?
The InChIKey is AERHLBYFZGPXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O5S.C28H31N3O4.C2H8N2O2S/c1-33(2)41(38,39)32-29(36)22-8-9-24-26(17-22)35-19-23(30(37)34-12-14-40-15-13-34)16-21-10-11-31-18-25(21)28(35)27(24)20-6-4-3-5-7-20;32-27(30-10-12-35-13-11-30)21-14-19-8-9-29-16-23(19)26-25(18-4-2-1-3-5-18)22-7-6-20(28(33)34)15-24(22)31(26)17-21;1-4(2)7(3,5)6/h8-11,17-18,20,23H,3-7,12-16,19H2,1-2H3,(H,32,36);6-9,15-16,18,21H,1-5,10-14,17H2,(H,33,34);1-2H3,(H2,3,5,6).
What are the key properties of 18-cyclohexyl-N-(dimethylsulfamoyl)-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxamide;18-cyclohexyl-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylic acid;[methyl(sulfamoyl)amino]methane?
18-cyclohexyl-N-(dimethylsulfamoyl)-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxamide;18-cyclohexyl-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylic acid;[methyl(sulfamoyl)amino]methane has a molecular weight of 1177.46 g/mol, XLogP of 6.55, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 18-cyclohexyl-N-(dimethylsulfamoyl)-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxamide;18-cyclohexyl-9-(morpholine-4-carbonyl)-4,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carboxylic acid;[methyl(sulfamoyl)amino]methane is sourced from PubChem (CID 157091147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).